Information card for entry 4101504

Structure parameters

• Formula: C23 I O3 Si
• Calculated formula: C23 I O3 Si
• SMILES: IC=C(C)C[C@@H]1O[C@H]2[C@@]3([C@H]1C(=C(C)C)CC3)CO[Si](O2)(C(C)(C)C)C(C)(C)C.IC=C(C)C[C@H]1O[C@@H]2[C@]3([C@@H]1C(=C(C)C)CC3)CO[Si](O2)(C(C)(C)C)C(C)(C)C
• Title of publication: Enantioselective total synthesis of (+)- and (-)-nigellamine A2.
• Authors of publication: Bian, Jianwei; Van Wingerden, Matthew; Ready, Joseph M
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 23
• Pages of publication: 7428 - 7429
• a: 12.665 ± 0.0003 Å
• b: 20.524 ± 0.0005 Å
• c: 19.944 ± 0.0005 Å
• α: 90°
• β: 96.16°
• γ: 90°
• Cell volume: 5154.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1879
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No